@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3646
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.6528     9.8398     2.7413	Br	1	noname	-0.0507
2	C1     1.8997     8.3338     3.5374	C.2	1	noname	-0.0249
3	C2     1.2616     7.3598     2.7464	C.2	1	noname	-0.0323
4	C3     1.9686     8.1648     4.9325	C.2	1	noname	-0.0569
5	C4     0.6785     6.2208     3.3435	C.2	1	noname	-0.0232
6	C5     1.4065     7.0248     5.5305	C.2	1	noname	-0.0547
7	N1     0.0705     5.2398     2.6275	N.3	1	noname	0.0083
8	C6     0.7695     6.0548     4.7386	C.2	1	noname	-0.0551
9	C7    -0.8285     5.4098     1.6175	C.2	1	noname	0.0584
10	N2    -1.2126     6.6529     1.2255	N.2	1	noname	-0.2177
11	C8    -1.3926     4.2898     0.9715	C.2	1	noname	0.0039
12	C9    -2.1097     6.8640     0.2355	C.2	1	noname	0.0594
13	C10    -2.3307     4.5319    -0.0604	C.2	1	noname	0.0254
14	C11    -1.0836     2.9518     1.2846	C.2	1	noname	0.0261
15	N3    -2.6588     5.8020    -0.3953	N.2	1	noname	-0.2357
16	C12    -2.9308     3.4618    -0.7443	C.2	1	noname	0.0104
17	N4    -1.6827     1.9438     0.6026	N.2	1	noname	-0.2557
18	C13    -2.5858     2.1488    -0.3903	C.2	1	noname	0.0392
19	N5    -3.1539     1.1128    -1.0402	N.3	1	noname	-0.1055
20	C14    -2.8639    -0.2421    -0.7342	C.3	1	noname	0.0247
21	C15    -3.6510    -1.1691    -1.6702	C.3	1	noname	0.0561
22	O1    -5.0471    -0.9420    -1.5281	O.3	1	noname	-0.3949
23	H1     1.2216     7.4738     1.7324	H	1	noname	0.0651
24	H2     2.4276     8.8639     5.5186	H	1	noname	0.0634
25	H3     1.4615     6.8998     6.5426	H	1	noname	0.0623
26	H4     0.2594     4.3278     2.8976	H	1	noname	0.1357
27	H5     0.3665     5.2288     5.1826	H	1	noname	0.0639
28	H6    -2.3708     7.8141    -0.0303	H	1	noname	0.1062
29	H7    -0.4136     2.7258     2.0207	H	1	noname	0.0848
30	H8    -3.6078     3.6379    -1.4883	H	1	noname	0.0679
31	H9    -3.7979     1.2979    -1.7422	H	1	noname	0.1297
32	H10    -1.7969    -0.4321    -0.8651	H	1	noname	0.0456
33	H11    -3.1429    -0.4571     0.2988	H	1	noname	0.0456
34	H12    -3.3570    -0.9810    -2.7032	H	1	noname	0.0576
35	H13    -3.4280    -2.2061    -1.4191	H	1	noname	0.0576
36	H14    -5.6102    -1.5110    -2.0951	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	18	2
29	18	19	1
30	19	20	1
31	19	31	1
32	20	21	1
33	20	32	1
34	20	33	1
35	21	22	1
36	21	34	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1